# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06697324
_cell_length_b   22.92499697
_cell_length_c   47.45407216
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe504
_cell_volume   13994.9506511
_cell_formula_units_Z   504
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.079313  0.650787  0.302255  1
  Fe  Fe2  1  0.779576  0.512041  0.286708  1
  Fe  Fe3  1  0.722230  0.626896  0.319774  1
  Fe  Fe4  1  0.121315  0.190717  0.301639  1
  Fe  Fe5  1  0.085984  0.319167  0.312687  1
  Fe  Fe6  1  0.050482  0.445325  0.326074  1
  Fe  Fe7  1  0.495176  0.307389  0.295363  1
  Fe  Fe8  1  0.414817  0.482227  0.308186  1
  Fe  Fe9  1  0.351988  0.610979  0.337903  1
  Fe  Fe10  1  0.744667  0.005639  0.320045  1
  Fe  Fe11  1  0.730670  0.137748  0.325259  1
  Fe  Fe12  1  0.712063  0.315177  0.344614  1
  Fe  Fe13  1  0.021671  0.809598  0.328388  1
  Fe  Fe14  1  1.002431  0.975292  0.358856  1
  Fe  Fe15  1  0.390065  0.813126  0.306728  1
  Fe  Fe16  1  0.347930  0.986275  0.326367  1
  Fe  Fe17  1  0.527616  0.179607  0.293542  1
  Fe  Fe18  1  0.763394  0.833999  0.293676  1
  Fe  Fe19  1  0.920575  0.745070  0.298812  1
  Fe  Fe20  1  0.617532  0.599979  0.283222  1
  Fe  Fe21  1  0.554299  0.717083  0.311709  1
  Fe  Fe22  1  0.968516  0.267426  0.286888  1
  Fe  Fe23  1  0.938949  0.389059  0.291810  1
  Fe  Fe24  1  0.882631  0.543238  0.324798  1
  Fe  Fe25  1  0.370163  0.397985  0.281169  1
  Fe  Fe26  1  0.247880  0.553291  0.305617  1
  Fe  Fe27  1  0.183874  0.713733  0.333083  1
  Fe  Fe28  1  0.597796  0.078962  0.308158  1
  Fe  Fe29  1  0.632233  0.237791  0.319756  1
  Fe  Fe30  1  0.559237  0.397350  0.314360  1
  Fe  Fe31  1  0.869887  0.907530  0.324633  1
  Fe  Fe32  1  0.878602  0.075546  0.349866  1
  Fe  Fe33  1  0.239107  0.906709  0.298374  1
  Fe  Fe34  1  0.230107  0.090950  0.310352  1
  Fe  Fe35  1  0.224997  0.246665  0.333693  1
  Fe  Fe36  1  0.503010  0.889013  0.338189  1
  Fe  Fe37  1  0.004266  0.708734  0.343525  1
  Fe  Fe38  1  0.699140  0.528117  0.333556  1
  Fe  Fe39  1  0.736049  0.731097  0.305163  1
  Fe  Fe40  1  0.006055  0.245943  0.338771  1
  Fe  Fe41  1  0.146633  0.396945  0.284326  1
  Fe  Fe42  1  0.065312  0.547161  0.313906  1
  Fe  Fe43  1  0.394593  0.376574  0.332760  1
  Fe  Fe44  1  0.433913  0.585125  0.292545  1
  Fe  Fe45  1  0.370931  0.710432  0.321173  1
  Fe  Fe46  1  0.660158  0.068678  0.358054  1
  Fe  Fe47  1  0.810097  0.238310  0.303527  1
  Fe  Fe48  1  0.742305  0.411791  0.299879  1
  Fe  Fe49  1  0.052320  0.907548  0.312645  1
  Fe  Fe50  1  0.063483  0.079432  0.328606  1
  Fe  Fe51  1  0.428237  0.912488  0.292352  1
  Fe  Fe52  1  0.413317  0.084573  0.311660  1
  Fe  Fe53  1  0.434216  0.245504  0.330662  1
  Fe  Fe54  1  0.685533  0.901073  0.330859  1
  Fe  Fe55  1  0.897866  0.641789  0.309700  1
  Fe  Fe56  1  0.592903  0.498092  0.296694  1
  Fe  Fe57  1  0.537694  0.617524  0.329512  1
  Fe  Fe58  1  0.943587  0.161349  0.317121  1
  Fe  Fe59  1  0.865059  0.327831  0.325438  1
  Fe  Fe60  1  0.972033  0.487610  0.282873  1
  Fe  Fe61  1  0.293086  0.317146  0.303526  1
  Fe  Fe62  1  0.243122  0.449968  0.316030  1
  Fe  Fe63  1  0.263031  0.654165  0.293203  1
  Fe  Fe64  1  0.541012  0.986414  0.322070  1
  Fe  Fe65  1  0.517128  0.149864  0.344116  1
  Fe  Fe66  1  0.681953  0.320045  0.289741  1
  Fe  Fe67  1  0.842202  0.805247  0.338918  1
  Fe  Fe68  1  0.937028  1.004212  0.312860  1
  Fe  Fe69  1  0.204101  0.811731  0.317071  1
  Fe  Fe70  1  0.159154  0.983731  0.329961  1
  Fe  Fe71  1  0.334673  0.187823  0.299214  1
  Fe  Fe72  1  0.576317  0.823239  0.299236  1
  Fe  Fe73  1  0.989681  0.607296  0.354426  1
  Fe  Fe74  1  0.684296  0.428980  0.347562  1
  Fe  Fe75  1  0.629760  0.592382  0.373334  1
  Fe  Fe76  1  0.977012  0.148895  0.372390  1
  Fe  Fe77  1  0.918200  0.278865  0.379536  1
  Fe  Fe78  1  0.933656  0.438099  0.403821  1
  Fe  Fe79  1  0.333786  0.305015  0.363920  1
  Fe  Fe80  1  0.300075  0.423632  0.372619  1
  Fe  Fe81  1  0.264853  0.582463  0.389348  1
  Fe  Fe82  1  0.619771  0.967719  0.368872  1
  Fe  Fe83  1  0.574829  0.128058  0.396106  1
  Fe  Fe84  1  0.571473  0.283020  0.412875  1
  Fe  Fe85  1  0.936239  0.774824  0.382068  1
  Fe  Fe86  1  0.888772  0.943130  0.409620  1
  Fe  Fe87  1  0.298062  0.785127  0.360662  1
  Fe  Fe88  1  0.233190  0.961713  0.376904  1
  Fe  Fe89  1  0.330739  0.153773  0.349327  1
  Fe  Fe90  1  0.662389  0.797063  0.343922  1
  Fe  Fe91  1  0.824865  0.702788  0.350098  1
  Fe  Fe92  1  0.518221  0.519208  0.343997  1
  Fe  Fe93  1  0.461739  0.688446  0.366014  1
  Fe  Fe94  1  0.820993  0.212794  0.352486  1
  Fe  Fe95  1  0.827201  0.377778  0.375814  1
  Fe  Fe96  1  0.794295  0.499421  0.377868  1
  Fe  Fe97  1  0.191776  0.371967  0.342856  1
  Fe  Fe98  1  0.156553  0.506705  0.356757  1
  Fe  Fe99  1  0.101381  0.678445  0.386287  1
  Fe  Fe100  1  0.468622  0.056387  0.359661  1
  Fe  Fe101  1  0.451877  0.222071  0.384329  1
  Fe  Fe102  1  0.445549  0.359722  0.394085  1
  Fe  Fe103  1  0.774211  0.873380  0.375957  1
  Fe  Fe104  1  0.729104  0.039599  0.404793  1
  Fe  Fe105  1  0.139666  0.882505  0.356494  1
  Fe  Fe106  1  0.090184  0.054489  0.376327  1
  Fe  Fe107  1  0.074310  0.217050  0.398002  1
  Fe  Fe108  1  0.403917  0.858973  0.388705  1
  Fe  Fe109  1  0.918413  0.671207  0.394400  1
  Fe  Fe110  1  0.613578  0.493148  0.389318  1
  Fe  Fe111  1  0.644080  0.694558  0.357410  1
  Fe  Fe112  1  0.884869  0.198953  0.411701  1
  Fe  Fe113  1  0.991121  0.371608  0.353826  1
  Fe  Fe114  1  0.975417  0.505290  0.367429  1
  Fe  Fe115  1  0.238169  0.352743  0.401815  1
  Fe  Fe116  1  0.335895  0.510906  0.352934  1
  Fe  Fe117  1  0.280731  0.684213  0.375688  1
  Fe  Fe118  1  0.537320  0.030610  0.407023  1
  Fe  Fe119  1  0.634248  0.207195  0.367424  1
  Fe  Fe120  1  0.650933  0.368581  0.389406  1
  Fe  Fe121  1  0.959482  0.876993  0.368908  1
  Fe  Fe122  1  0.927085  0.045576  0.400992  1
  Fe  Fe123  1  0.319352  0.885777  0.343955  1
  Fe  Fe124  1  0.270631  0.060306  0.359850  1
  Fe  Fe125  1  0.261871  0.224056  0.386881  1
  Fe  Fe126  1  0.590147  0.865064  0.382076  1
  Fe  Fe127  1  0.809508  0.601305  0.364638  1
  Fe  Fe128  1  0.503351  0.426394  0.362498  1
  Fe  Fe129  1  0.446904  0.587011  0.381736  1
  Fe  Fe130  1  0.779982  0.135049  0.385013  1
  Fe  Fe131  1  0.740554  0.269630  0.393259  1
  Fe  Fe132  1  0.860402  0.446113  0.332862  1
  Fe  Fe133  1  0.123621  0.296017  0.370213  1
  Fe  Fe134  1  0.103477  0.423711  0.383713  1
  Fe  Fe135  1  0.170156  0.611932  0.346010  1
  Fe  Fe136  1  0.426190  0.960398  0.373139  1
  Fe  Fe137  1  0.389010  0.126617  0.396505  1
  Fe  Fe138  1  0.539503  0.307774  0.356019  1
  Fe  Fe139  1  0.753071  0.768838  0.388610  1
  Fe  Fe140  1  0.811459  0.975711  0.364953  1
  Fe  Fe141  1  0.116989  0.781607  0.372467  1
  Fe  Fe142  1  0.077630  0.944770  0.404087  1
  Fe  Fe143  1  0.139555  0.162482  0.351630  1
  Fe  Fe144  1  0.480823  0.787985  0.350762  1
  Fe  Fe145  1  0.902755  0.568933  0.408312  1
  Fe  Fe146  1  0.555879  0.427355  0.423826  1
  Fe  Fe147  1  0.523982  0.558293  0.427382  1
  Fe  Fe148  1  0.834730  0.110763  0.439142  1
  Fe  Fe149  1  0.789022  0.244431  0.450392  1
  Fe  Fe150  1  0.782618  0.406248  0.470085  1
  Fe  Fe151  1  0.178992  0.278618  0.429091  1
  Fe  Fe152  1  0.130169  0.401986  0.437225  1
  Fe  Fe153  1  0.145178  0.560573  0.455757  1
  Fe  Fe154  1  0.506418  0.931178  0.418893  1
  Fe  Fe155  1  0.449301  0.096376  0.444347  1
  Fe  Fe156  1  0.423953  0.266426  0.474771  1
  Fe  Fe157  1  0.843916  0.735694  0.432723  1
  Fe  Fe158  1  0.778169  0.902807  0.458849  1
  Fe  Fe159  1  0.208743  0.750383  0.416543  1
  Fe  Fe160  1  0.153480  0.912873  0.448537  1
  Fe  Fe161  1  0.198951  0.127724  0.398904  1
  Fe  Fe162  1  0.569878  0.762479  0.395412  1
  Fe  Fe163  1  0.736064  0.665400  0.402541  1
  Fe  Fe164  1  0.416610  0.490113  0.399280  1
  Fe  Fe165  1  0.374569  0.655189  0.418750  1
  Fe  Fe166  1  0.684758  0.187805  0.423099  1
  Fe  Fe167  1  0.681684  0.342402  0.442297  1
  Fe  Fe168  1  0.662343  0.496198  0.452781  1
  Fe  Fe169  1  0.024955  0.339296  0.408730  1
  Fe  Fe170  1  0.040671  0.500250  0.429001  1
  Fe  Fe171  1  0.011145  0.638416  0.438226  1
  Fe  Fe172  1  0.344400  0.029476  0.409239  1
  Fe  Fe173  1  0.314863  0.195142  0.434088  1
  Fe  Fe174  1  0.282866  0.344253  0.459340  1
  Fe  Fe175  1  0.675050  0.834748  0.426325  1
  Fe  Fe176  1  0.612415  0.998445  0.452788  1
  Fe  Fe177  1  0.045629  0.844424  0.413628  1
  Fe  Fe178  1  0.999113  0.011087  0.447205  1
  Fe  Fe179  1  0.941488  0.176061  0.468406  1
  Fe  Fe180  1  0.309438  0.821713  0.444975  1
  Fe  Fe181  1  0.823057  0.634005  0.447531  1
  Fe  Fe182  1  0.454975  0.481342  0.459267  1
  Fe  Fe183  1  0.555635  0.659530  0.409758  1
  Fe  Fe184  1  0.733156  0.164303  0.477965  1
  Fe  Fe185  1  0.845607  0.331374  0.422498  1
  Fe  Fe186  1  0.858589  0.500068  0.444879  1
  Fe  Fe187  1  0.084333  0.323652  0.469042  1
  Fe  Fe188  1  0.216142  0.487624  0.408983  1
  Fe  Fe189  1  0.197814  0.646999  0.430251  1
  Fe  Fe190  1  0.420395  0.996642  0.456081  1
  Fe  Fe191  1  0.496726  0.194125  0.434837  1
  Fe  Fe192  1  0.496335  0.351039  0.453151  1
  Fe  Fe193  1  0.861025  0.840042  0.420317  1
  Fe  Fe194  1  0.806328  0.005558  0.449246  1
  Fe  Fe195  1  0.224034  0.853619  0.400638  1
  Fe  Fe196  1  0.156522  0.026764  0.421467  1
  Fe  Fe197  1  0.140299  0.190402  0.454108  1
  Fe  Fe198  1  0.488887  0.829294  0.433069  1
  Fe  Fe199  1  0.718975  0.563925  0.418495  1
  Fe  Fe200  1  0.350772  0.417381  0.430332  1
  Fe  Fe201  1  0.322755  0.550812  0.437256  1
  Fe  Fe202  1  0.637756  0.098656  0.444152  1
  Fe  Fe203  1  0.606043  0.254385  0.463328  1
  Fe  Fe204  1  0.755341  0.434290  0.418225  1
  Fe  Fe205  1  0.987421  0.259263  0.440026  1
  Fe  Fe206  1  0.947447  0.395617  0.450482  1
  Fe  Fe207  1  0.085059  0.576569  0.397659  1
  Fe  Fe208  1  0.312216  0.930242  0.422886  1
  Fe  Fe209  1  0.258654  0.097378  0.446142  1
  Fe  Fe210  1  0.380563  0.287519  0.422802  1
  Fe  Fe211  1  0.661736  0.731178  0.439126  1
  Fe  Fe212  1  0.698004  0.937344  0.414362  1
  Fe  Fe213  1  0.027530  0.741466  0.425751  1
  Fe  Fe214  1  0.967720  0.907830  0.454268  1
  Fe  Fe215  1  0.036188  0.123993  0.425963  1
  Fe  Fe216  1  0.387283  0.757587  0.404725  1
  Fe  Fe217  1  0.767573  0.564389  0.481256  1
  Fe  Fe218  1  0.385476  0.403839  0.488006  1
  Fe  Fe219  1  0.335780  0.526892  0.493259  1
  Fe  Fe220  1  0.710794  0.063749  0.488321  1
  Fe  Fe221  1  0.623607  0.228957  0.514410  1
  Fe  Fe222  1  0.619297  0.395860  0.538267  1
  Fe  Fe223  1  0.041895  0.240860  0.497992  1
  Fe  Fe224  1  0.973697  0.372527  0.506215  1
  Fe  Fe225  1  0.974451  0.537338  0.523265  1
  Fe  Fe226  1  0.395776  0.896277  0.468269  1
  Fe  Fe227  1  0.327263  0.062010  0.492868  1
  Fe  Fe228  1  0.252396  0.217352  0.531203  1
  Fe  Fe229  1  0.722940  0.694662  0.485800  1
  Fe  Fe230  1  0.667571  0.858764  0.507863  1
  Fe  Fe231  1  0.117935  0.710221  0.469891  1
  Fe  Fe232  1  0.047460  0.872132  0.499354  1
  Fe  Fe233  1  0.098282  0.082030  0.472384  1
  Fe  Fe234  1  0.480500  0.725502  0.447239  1
  Fe  Fe235  1  0.624926  0.626982  0.456290  1
  Fe  Fe236  1  0.234729  0.464066  0.465049  1
  Fe  Fe237  1  0.244215  0.622987  0.483655  1
  Fe  Fe238  1  0.542827  0.163595  0.482173  1
  Fe  Fe239  1  0.522848  0.331580  0.507896  1
  Fe  Fe240  1  0.484820  0.466069  0.516715  1
  Fe  Fe241  1  0.882614  0.306492  0.478445  1
  Fe  Fe242  1  0.879600  0.471786  0.496941  1
  Fe  Fe243  1  0.869072  0.631248  0.509771  1
  Fe  Fe244  1  0.234738  0.992852  0.465200  1
  Fe  Fe245  1  0.187729  0.148254  0.500774  1
  Fe  Fe246  1  0.125007  0.310637  0.527099  1
  Fe  Fe247  1  0.576031  0.794966  0.476250  1
  Fe  Fe248  1  0.498157  0.961489  0.501562  1
  Fe  Fe249  1  0.947352  0.804369  0.464489  1
  Fe  Fe250  1  0.881161  0.966589  0.494286  1
  Fe  Fe251  1  0.800002  0.127549  0.523110  1
  Fe  Fe252  1  0.220485  0.779787  0.503865  1
  Fe  Fe253  1  0.651805  0.614852  0.515102  1
  Fe  Fe254  1  0.277927  0.453178  0.525927  1
  Fe  Fe255  1  0.418917  0.616196  0.465514  1
  Fe  Fe256  1  0.611241  0.126023  0.526135  1
  Fe  Fe257  1  0.698905  0.316678  0.492571  1
  Fe  Fe258  1  0.698308  0.482528  0.510509  1
  Fe  Fe259  1  0.920239  0.292764  0.536572  1
  Fe  Fe260  1  0.046535  0.461078  0.477344  1
  Fe  Fe261  1  0.060466  0.629812  0.498693  1
  Fe  Fe262  1  0.313060  0.958630  0.510292  1
  Fe  Fe263  1  0.355584  0.164675  0.480656  1
  Fe  Fe264  1  0.329490  0.325006  0.517191  1
  Fe  Fe265  1  0.762430  0.799270  0.469822  1
  Fe  Fe266  1  0.688868  0.962083  0.497461  1
  Fe  Fe267  1  0.132342  0.811379  0.458483  1
  Fe  Fe268  1  0.075161  0.973888  0.491918  1
  Fe  Fe269  1  0.992394  0.132898  0.515397  1
  Fe  Fe270  1  0.401158  0.786351  0.488586  1
  Fe  Fe271  1  0.554419  0.547610  0.487392  1
  Fe  Fe272  1  0.179821  0.389294  0.497782  1
  Fe  Fe273  1  0.145423  0.524705  0.504576  1
  Fe  Fe274  1  0.518423  0.061954  0.490311  1
  Fe  Fe275  1  0.434824  0.226528  0.521943  1
  Fe  Fe276  1  0.600412  0.416278  0.482344  1
  Fe  Fe277  1  0.827384  0.226874  0.507512  1
  Fe  Fe278  1  0.791046  0.382157  0.520538  1
  Fe  Fe279  1  0.960162  0.565760  0.471337  1
  Fe  Fe280  1  0.233827  0.879616  0.492225  1
  Fe  Fe281  1  0.168646  0.044003  0.518346  1
  Fe  Fe282  1  0.239124  0.258818  0.484918  1
  Fe  Fe283  1  0.512425  0.683626  0.493501  1
  Fe  Fe284  1  0.587319  0.897789  0.464000  1
  Fe  Fe285  1  0.926417  0.702198  0.477421  1
  Fe  Fe286  1  0.859118  0.863843  0.502537  1
  Fe  Fe287  1  0.900676  0.069677  0.485340  1
  Fe  Fe288  1  0.305462  0.717655  0.460779  1
  Fe  Fe289  1  0.581349  0.531454  0.544771  1
  Fe  Fe290  1  0.212831  0.376977  0.557496  1
  Fe  Fe291  1  0.165089  0.505439  0.560675  1
  Fe  Fe292  1  0.590659  0.023551  0.535100  1
  Fe  Fe293  1  0.524329  0.188255  0.565306  1
  Fe  Fe294  1  0.463576  0.350931  0.594846  1
  Fe  Fe295  1  0.893690  0.192794  0.553689  1
  Fe  Fe296  1  0.824797  0.362415  0.574022  1
  Fe  Fe297  1  0.805050  0.528194  0.595190  1
  Fe  Fe298  1  0.307473  0.849029  0.536271  1
  Fe  Fe299  1  0.242017  0.009980  0.564818  1
  Fe  Fe300  1  0.165354  0.165396  0.589722  1
  Fe  Fe301  1  0.530333  0.660584  0.548466  1
  Fe  Fe302  1  0.509958  0.826939  0.564187  1
  Fe  Fe303  1  0.968486  0.696991  0.539009  1
  Fe  Fe304  1  0.919766  0.824893  0.548070  1
  Fe  Fe305  1  0.973695  0.029428  0.530688  1
  Fe  Fe306  1  0.339514  0.687217  0.511313  1
  Fe  Fe307  1  0.434259  0.592116  0.521062  1
  Fe  Fe308  1  0.067604  0.439435  0.533990  1
  Fe  Fe309  1  0.069240  0.601998  0.549749  1
  Fe  Fe310  1  0.417696  0.125607  0.526395  1
  Fe  Fe311  1  0.352271  0.283470  0.563844  1
  Fe  Fe312  1  0.310724  0.444200  0.586060  1
  Fe  Fe313  1  0.721025  0.293468  0.544394  1
  Fe  Fe314  1  0.712184  0.462339  0.566734  1
  Fe  Fe315  1  0.677459  0.598784  0.572253  1
  Fe  Fe316  1  0.154700  0.941730  0.536420  1
  Fe  Fe317  1  0.065805  0.094044  0.560821  1
  Fe  Fe318  1  0.993911  0.263640  0.583263  1
  Fe  Fe319  1  0.425753  0.755446  0.538151  1
  Fe  Fe320  1  0.381373  0.924367  0.558294  1
  Fe  Fe321  1  0.821071  0.760636  0.515994  1
  Fe  Fe322  1  0.762099  0.921210  0.541413  1
  Fe  Fe323  1  0.689339  0.088724  0.570415  1
  Fe  Fe324  1  0.066793  0.761993  0.569522  1
  Fe  Fe325  1  0.479809  0.584124  0.581054  1
  Fe  Fe326  1  0.117076  0.439708  0.596033  1
  Fe  Fe327  1  0.244684  0.587660  0.532318  1
  Fe  Fe328  1  0.497219  0.088182  0.571735  1
  Fe  Fe329  1  0.535046  0.291073  0.554493  1
  Fe  Fe330  1  0.514737  0.453530  0.577695  1
  Fe  Fe331  1  0.812214  0.261121  0.589634  1
  Fe  Fe332  1  0.883578  0.448783  0.548044  1
  Fe  Fe333  1  0.890618  0.614298  0.565981  1
  Fe  Fe334  1  0.215523  0.911932  0.583283  1
  Fe  Fe335  1  0.251766  0.110932  0.547783  1
  Fe  Fe336  1  0.173803  0.269666  0.574067  1
  Fe  Fe337  1  0.604356  0.752231  0.522476  1
  Fe  Fe338  1  0.570630  0.921506  0.546080  1
  Fe  Fe339  1  0.027941  0.770481  0.509306  1
  Fe  Fe340  1  0.953520  0.927181  0.539695  1
  Fe  Fe341  1  0.878282  0.090757  0.566982  1
  Fe  Fe342  1  0.251303  0.755648  0.556006  1
  Fe  Fe343  1  0.379609  0.517341  0.553560  1
  Fe  Fe344  1  0.014424  0.364393  0.565913  1
  Fe  Fe345  1  0.979080  0.513727  0.574745  1
  Fe  Fe346  1  0.400237  0.024816  0.539453  1
  Fe  Fe347  1  0.343866  0.179230  0.574140  1
  Fe  Fe348  1  0.421462  0.389562  0.547285  1
  Fe  Fe349  1  0.708523  0.192212  0.558828  1
  Fe  Fe350  1  0.645220  0.357632  0.585627  1
  Fe  Fe351  1  0.794194  0.549092  0.538384  1
  Fe  Fe352  1  0.122576  0.843926  0.545506  1
  Fe  Fe353  1  0.044795  0.991150  0.576696  1
  Fe  Fe354  1  0.078719  0.199097  0.545466  1
  Fe  Fe355  1  0.342418  0.652992  0.560028  1
  Fe  Fe356  1  0.473962  0.860805  0.513971  1
  Fe  Fe357  1  0.747495  0.681927  0.543395  1
  Fe  Fe358  1  0.707452  0.816551  0.554943  1
  Fe  Fe359  1  0.783001  0.024852  0.532813  1
  Fe  Fe360  1  0.159409  0.691151  0.526733  1
  Fe  Fe361  1  0.410080  0.515814  0.614608  1
  Fe  Fe362  1  0.101194  0.338286  0.610741  1
  Fe  Fe363  1  0.039221  0.506543  0.635472  1
  Fe  Fe364  1  0.471462  0.989216  0.586595  1
  Fe  Fe365  1  0.431500  0.145849  0.618197  1
  Fe  Fe366  1  0.379320  0.312873  0.646557  1
  Fe  Fe367  1  0.794491  0.158154  0.603410  1
  Fe  Fe368  1  0.741413  0.325969  0.629066  1
  Fe  Fe369  1  0.680994  0.493420  0.654311  1
  Fe  Fe370  1  0.158972  0.824995  0.603116  1
  Fe  Fe371  1  0.104268  0.955864  0.624065  1
  Fe  Fe372  1  0.066780  0.133628  0.642163  1
  Fe  Fe373  1  0.365918  0.635109  0.613377  1
  Fe  Fe374  1  0.357399  0.793113  0.633480  1
  Fe  Fe375  1  0.772132  0.665826  0.599727  1
  Fe  Fe376  1  0.734748  0.796653  0.609280  1
  Fe  Fe377  1  0.854309  0.987388  0.577996  1
  Fe  Fe378  1  0.165580  0.666443  0.576898  1
  Fe  Fe379  1  0.265057  0.571120  0.585645  1
  Fe  Fe380  1  0.931949  0.434043  0.604458  1
  Fe  Fe381  1  0.909206  0.592917  0.618934  1
  Fe  Fe382  1  0.327439  0.076729  0.594554  1
  Fe  Fe383  1  0.270415  0.238497  0.616665  1
  Fe  Fe384  1  0.210958  0.410139  0.640582  1
  Fe  Fe385  1  0.630669  0.255738  0.597826  1
  Fe  Fe386  1  0.574858  0.420790  0.624881  1
  Fe  Fe387  1  0.511053  0.587598  0.643903  1
  Fe  Fe388  1  0.009790  0.890311  0.586507  1
  Fe  Fe389  1  0.955675  0.058131  0.611976  1
  Fe  Fe390  1  0.904383  0.231229  0.634803  1
  Fe  Fe391  1  0.263926  0.728692  0.605810  1
  Fe  Fe392  1  0.255468  0.886559  0.634626  1
  Fe  Fe393  1  0.624493  0.731197  0.576702  1
  Fe  Fe394  1  0.614908  0.889012  0.595337  1
  Fe  Fe395  1  0.579134  0.053160  0.616512  1
  Fe  Fe396  1  0.874269  0.725451  0.629835  1
  Fe  Fe397  1  0.329993  0.580924  0.657271  1
  Fe  Fe398  1  0.028306  0.406005  0.649286  1
  Fe  Fe399  1  0.083200  0.573910  0.600641  1
  Fe  Fe400  1  0.411913  0.047953  0.640126  1
  Fe  Fe401  1  0.448766  0.248451  0.606318  1
  Fe  Fe402  1  0.393685  0.415291  0.632072  1
  Fe  Fe403  1  0.722910  0.224396  0.642243  1
  Fe  Fe404  1  0.753466  0.428479  0.615052  1
  Fe  Fe405  1  0.706331  0.588681  0.634720  1
  Fe  Fe406  1  0.044170  0.863313  0.642073  1
  Fe  Fe407  1  0.142304  0.061529  0.605845  1
  Fe  Fe408  1  0.088502  0.234680  0.627005  1
  Fe  Fe409  1  0.438901  0.720757  0.587356  1
  Fe  Fe410  1  0.427657  0.888468  0.609448  1
  Fe  Fe411  1  0.846853  0.744276  0.573393  1
  Fe  Fe412  1  0.818586  0.883642  0.587220  1
  Fe  Fe413  1  0.768071  0.054843  0.615330  1
  Fe  Fe414  1  0.092919  0.735891  0.624328  1
  Fe  Fe415  1  0.224938  0.509159  0.624862  1
  Fe  Fe416  1  0.920416  0.332791  0.619700  1
  Fe  Fe417  1  0.857846  0.508119  0.646731  1
  Fe  Fe418  1  0.308293  0.977848  0.612119  1
  Fe  Fe419  1  0.251429  0.138220  0.635153  1
  Fe  Fe420  1  0.281898  0.343093  0.603635  1
  Fe  Fe421  1  0.611645  0.153218  0.609714  1
  Fe  Fe422  1  0.560302  0.319789  0.638209  1
  Fe  Fe423  1  0.610671  0.520735  0.606714  1
  Fe  Fe424  1  0.947653  0.801445  0.604785  1
  Fe  Fe425  1  0.916013  0.956893  0.625214  1
  Fe  Fe426  1  0.980739  0.161126  0.597542  1
  Fe  Fe427  1  0.185317  0.635714  0.626223  1
  Fe  Fe428  1  0.339670  0.820487  0.584861  1
  Fe  Fe429  1  0.577545  0.652171  0.608062  1
  Fe  Fe430  1  0.537562  0.790171  0.616554  1
  Fe  Fe431  1  0.664439  0.985408  0.578959  1
  Fe  Fe432  1  0.990958  0.676076  0.594457  1
  Fe  Fe433  1  0.321706  0.479911  0.669342  1
  Fe  Fe434  1  0.018286  0.304176  0.664058  1
  Fe  Fe435  1  0.955989  0.470932  0.689504  1
  Fe  Fe436  1  0.356964  0.950527  0.661678  1
  Fe  Fe437  1  0.336414  0.110344  0.681115  1
  Fe  Fe438  1  0.283078  0.277895  0.698000  1
  Fe  Fe439  1  0.700297  0.120912  0.654275  1
  Fe  Fe440  1  0.654269  0.289504  0.682193  1
  Fe  Fe441  1  0.582594  0.458311  0.704910  1
  Fe  Fe442  1  0.979519  0.776241  0.660796  1
  Fe  Fe443  1  0.969472  0.938695  0.674495  1
  Fe  Fe444  1  0.957423  0.103142  0.692936  1
  Fe  Fe445  1  0.256350  0.635747  0.701272  1
  Fe  Fe446  1  0.250273  0.745918  0.703786  1
  Fe  Fe447  1  0.604967  0.657156  0.670381  1
  Fe  Fe448  1  0.589369  0.770335  0.675870  1
  Fe  Fe449  1  0.728383  0.954182  0.625129  1
  Fe  Fe450  1  0.013463  0.650752  0.646804  1
  Fe  Fe451  1  0.149199  0.574355  0.663845  1
  Fe  Fe452  1  0.850256  0.402290  0.657412  1
  Fe  Fe453  1  0.780021  0.569481  0.688237  1
  Fe  Fe454  1  0.223746  0.038385  0.650177  1
  Fe  Fe455  1  0.181205  0.208908  0.672171  1
  Fe  Fe456  1  0.121332  0.371643  0.693270  1
  Fe  Fe457  1  0.543230  0.218332  0.648960  1
  Fe  Fe458  1  0.489091  0.386568  0.677220  1
  Fe  Fe459  1  0.420676  0.544986  0.700718  1
  Fe  Fe460  1  0.849148  0.859318  0.640813  1
  Fe  Fe461  1  0.842132  0.030726  0.662034  1
  Fe  Fe462  1  0.810702  0.194579  0.686586  1
  Fe  Fe463  1  0.118348  0.703624  0.677004  1
  Fe  Fe464  1  0.092955  0.834857  0.692941  1
  Fe  Fe465  1  0.465353  0.703091  0.640385  1
  Fe  Fe466  1  0.463004  0.855074  0.659197  1
  Fe  Fe467  1  0.473200  0.011474  0.686356  1
  Fe  Fe468  1  0.732141  0.694407  0.698281  1
  Fe  Fe469  1  0.232791  0.535695  0.708886  1
  Fe  Fe470  1  0.932630  0.369531  0.701797  1
  Fe  Fe471  1  0.964009  0.572330  0.675731  1
  Fe  Fe472  1  0.276395  0.016543  0.699406  1
  Fe  Fe473  1  0.365835  0.209539  0.660335  1
  Fe  Fe474  1  0.306051  0.379631  0.685147  1
  Fe  Fe475  1  0.625030  0.186729  0.693223  1
  Fe  Fe476  1  0.673042  0.391309  0.668510  1
  Fe  Fe477  1  0.599599  0.560405  0.690271  1
  Fe  Fe478  1  0.898937  0.850892  0.691677  1
  Fe  Fe479  1  0.036450  0.032846  0.657526  1
  Fe  Fe480  1  0.995273  0.203651  0.679759  1
  Fe  Fe481  1  0.290890  0.692033  0.655817  1
  Fe  Fe482  1  0.290880  0.853048  0.684606  1
  Fe  Fe483  1  0.674546  0.718974  0.637146  1
  Fe  Fe484  1  0.650815  0.859353  0.648210  1
  Fe  Fe485  1  0.638611  0.022720  0.662292  1
  Fe  Fe486  1  0.920908  0.697777  0.689141  1
  Fe  Fe487  1  0.137476  0.474102  0.679212  1
  Fe  Fe488  1  0.836194  0.299082  0.673751  1
  Fe  Fe489  1  0.771601  0.463194  0.698158  1
  Fe  Fe490  1  0.158185  0.941970  0.674953  1
  Fe  Fe491  1  0.147042  0.108334  0.687553  1
  Fe  Fe492  1  0.198502  0.308464  0.653589  1
  Fe  Fe493  1  0.516370  0.117793  0.663970  1
  Fe  Fe494  1  0.470834  0.281224  0.689981  1
  Fe  Fe495  1  0.500421  0.488992  0.659447  1
  Fe  Fe496  1  0.779319  0.776667  0.668881  1
  Fe  Fe497  1  0.775801  0.937065  0.674153  1
  Fe  Fe498  1  0.882764  0.129851  0.647234  1
  Fe  Fe499  1  0.070238  0.623656  0.706537  1
  Fe  Fe500  1  0.195617  0.789986  0.655286  1
  Fe  Fe501  1  0.431666  0.650123  0.689532  1
  Fe  Fe502  1  0.410755  0.757879  0.682288  1
  Fe  Fe503  1  0.527036  0.953289  0.635971  1
  Fe  Fe504  1  0.817244  0.647153  0.657137  1
